The polymorphs of the Na+ ion conductor Na3PS4 viewed from the perspective of a group-subgroup scheme

Stefan Seidel; Wolfgang G. Zeier; Rainer Pöttgen

doi:10.1515/zkri-2019-0053

Article

The polymorphs of the Na⁺ ion conductor Na₃PS₄ viewed from the perspective of a group-subgroup scheme

Stefan Seidel , Wolfgang G. Zeier and Rainer Pöttgen

Published/Copyright: November 30, 2019

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From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 235 Issue 1-2

Abstract

The Na⁺ solid state electrolyte Na₃PS₄ is currently being investigated due to its high ionic conductivity and its synthesis-dependent crystal structure. Na₃PS₄ adopts a tetragonal low-temperature modification with space group P 4̅2₁c that transforms to a cubic high-temperature modification with space group I 4̅3m (Tl₃VS₄ type). These two modifications are related by a group-subgroup scheme. The symmetry reduction proceeds via a translationengleiche transition from I 4̅3m to I 4̅2m and subsequently via a klassengleiche transition to P 4̅2₁c. The tetragonal phase with space group I 4̅2m corresponds to the K₂HgSnSe₄ type. The group-subgroup scheme of this tetragonal branch of the Bärnighausen tree is discussed along with the crystal chemical consequences and results of diffraction experiments. The structure of K₃SbSe₄ (space group R 3c) belongs to the rhombohedral branch of the aristotype Tl₃VS₄.

Keywords: group-subgroup scheme; sodium ion conductor; thiophosphate

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Received: 2019-11-04

Accepted: 2019-11-21

Published Online: 2019-11-30

Published in Print: 2020-02-25

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https://doi.org/10.1515/zkri-2019-0053

Keywords for this article

group-subgroup scheme; sodium ion conductor; thiophosphate